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Electronic and dynamical properties of the silicon trivacancy

Coutinho, J, Markevich, VP, Peaker, AR, Hamilton, B, Lastovskii, SB, Murin, LI, Svensson, BJ, Rayson, MJ and Briddon, PR (2012) Electronic and dynamical properties of the silicon trivacancy Physical Review B - Condensed Matter and Materials Physics, 86 (17).

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The trivacancy (V 3) in silicon has been recently shown to be a bistable center in the neutral charge state, with a fourfold-coordinated configuration, V 3[FFC], lower in energy than the (110) planar one. Transformations of the V 3 defect between different configurations, its diffusion, and disappearance upon isochronal and isothermal annealing of electron-irradiated Si:O crystals are reported from joint deep level transient spectroscopy measurements and first-principles density-functional calculations. Activation energies and respective mechanisms for V 3 transformation from the (110) planar configuration to the fourfold-coordinated structure have been determined. The annealing studies demonstrate that V 3 is mobile in Si at T>200C and in oxygen-rich material can be trapped by interstitial oxygen atoms so resulting in the appearance of V 3O complexes. The calculations suggest that V 3 motion takes place via consecutive FFC/planar transformation steps. The activation energy for the long-range diffusion of the V 3 center has been derived and agrees with atomic motion barrier from the calculations. © 2012 American Physical Society.

Item Type: Article
Divisions : Surrey research (other units)
Authors :
Coutinho, J
Markevich, VP
Peaker, AR
Hamilton, B
Lastovskii, SB
Murin, LI
Svensson, BJ
Briddon, PR
Date : 1 November 2012
DOI : 10.1103/PhysRevB.86.174101
Depositing User : Symplectic Elements
Date Deposited : 17 May 2017 13:03
Last Modified : 24 Jan 2020 23:21

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